SCHEMBL3452610

SCHEMBL3452610

O=c1oc(-c2ccccc2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.60
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
HPN P05981 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PTPN2 P17706 2/20 0.50
PTPN1 P18031 2/20 0.50
PTPN5 P54829 2/20 0.50
C1R P00736 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
F2 P00734 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DHODH Q02127 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5385483 0.87 F7 (0.49) ELANEF7F3HPNNPC1
SCHEMBL5380224 0.86 NPC1 (0.49) ELANEF7F3HPNNPC1
SCHEMBL5385451 0.85 HPN (0.52) ELANEF7F3HPNNPC1
SCHEMBL11817024 0.84 ELANE (0.71) ELANEF7F3NPC1RAB9A
SCHEMBL914467 0.84 C1R (0.67) ELANEF7F3C1RF2
SCHEMBL5382664 0.83 ELANE (0.57) ELANEHPNNPC1RAB9AC1R
SCHEMBL10344443 0.83 ELANE (0.66) ELANEF7F3NPC1RAB9A
SCHEMBL10741223 0.83 HPN (0.61) ELANEF7F3HPNNPC1
SCHEMBL14462682 0.82 F7 (0.45) ELANEF7F3HPNNPC1
SCHEMBL914657 0.82 F7 (0.81) ELANEF7F3HPNC1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776853-B2 2-amino-benzoxazinone derivatives for the treatment of obesity NORGINE B.V. (NL) 2010-08-17 US disclosed
US-6656934-B2 Enzyme inhibitor ALIZYME THERAPEUTICS LIMITED (GB) 2003-12-02 US disclosed